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PubChem AID 435029

Compile data set for download or QSAR
Found 42 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM46246
PNG
(4-[(5Z)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]me...)
Show SMILES OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O
Show InChI InChI=1S/C19H14N2O4S3/c22-16(23)6-3-9-21-18(24)15(28-19(21)26)10-11-7-8-13(25-11)17-20-12-4-1-2-5-14(12)27-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,23)/b15-10-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM68186
PNG
(2-({[5-[4-(tert-butyl)phenyl]-2-(methoxycarbonyl)-...)
Show SMILES COC(=O)c1sc(cc1NC(=O)c1ccccc1C(O)=O)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C24H23NO5S/c1-24(2,3)15-11-9-14(10-12-15)19-13-18(20(31-19)23(29)30-4)25-21(26)16-7-5-6-8-17(16)22(27)28/h5-13H,1-4H3,(H,25,26)(H,27,28)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM31712
PNG
(HEXACHLOROPHENE | MLS000028433 | SMR000058356 | ci...)
Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
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Burnham Center for Chemical Genomics

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Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM54136
PNG
(2-[[(Z)-[1,3-diketo-2-[3-[(2-methoxyphenyl)sulfamo...)
Show SMILES COc1ccccc1NS(=O)(=O)c1cccc(c1)-n1c(O)c(C=Nc2ccccc2C(O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C30H23N3O7S/c1-40-27-16-7-6-15-26(27)32-41(38,39)20-10-8-9-19(17-20)33-28(34)22-12-3-2-11-21(22)24(29(33)35)18-31-25-14-5-4-13-23(25)30(36)37/h2-18,32,35H,1H3,(H,36,37)
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM53954
PNG
(5-(2-hydroxy-3,5-dinitro-phenyl)-2,2-dimethyl-1,3,...)
Show SMILES CC1(C)CC(=O)C2=C(C1)c1c(NC2c2cc(cc(c2O)[N+]([O-])=O)[N+]([O-])=O)ccc2ccccc12
Show InChI InChI=1S/C25H21N3O6/c1-25(2)11-17-21-15-6-4-3-5-13(15)7-8-18(21)26-23(22(17)20(29)12-25)16-9-14(27(31)32)10-19(24(16)30)28(33)34/h3-10,23,26,30H,11-12H2,1-2H3
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Burnham Center for Chemical Genomics

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Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM70233
PNG
(3-bromanyl-5,7-dinitro-2-phenyl-1-benzofuran-4-ol ...)
Show SMILES Oc1c(cc([N+]([O-])=O)c2oc(c(Br)c12)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C14H7BrN2O6/c15-11-10-12(18)8(16(19)20)6-9(17(21)22)14(10)23-13(11)7-4-2-1-3-5-7/h1-6,18H
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n/an/a 2.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM53816
PNG
((6Z)-5-azanylidene-6-[(5-phenylfuran-2-yl)methylid...)
Show SMILES CC(C)S(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3ccc(o3)-c3ccccc3)C(=N)N12
Show InChI InChI=1S/C19H16N4O4S2/c1-11(2)29(25,26)19-22-28-18-21-17(24)14(16(20)23(18)19)10-13-8-9-15(27-13)12-6-4-3-5-7-12/h3-11,20H,1-2H3/b14-10-,20-16?
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n/an/a 3.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM50618
PNG
(3-(4-Carboxy-benzyl)-4-(3,5-di-tert-butyl-4-hydrox...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1cs\c(=[NH+]/c2ccccc2)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H34N2O3S/c1-30(2,3)24-16-22(17-25(27(24)34)31(4,5)6)26-19-37-29(32-23-10-8-7-9-11-23)33(26)18-20-12-14-21(15-13-20)28(35)36/h7-17,19,34H,18H2,1-6H3,(H,35,36)/p+1/b32-29-
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Burnham Center for Chemical Genomics

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Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM70239
PNG
(2-[[3-(4-chloranylphenoxy)phenyl]methyl-[(1S)-1,2,...)
Show SMILES OC(=O)c1ccccc1C(=O)N(Cc1cccc(Oc2ccc(Cl)cc2)c1)[C@H]1CCCc2ccccc12
Show InChI InChI=1S/C31H26ClNO4/c32-23-15-17-24(18-16-23)37-25-10-5-7-21(19-25)20-33(29-14-6-9-22-8-1-2-11-26(22)29)30(34)27-12-3-4-13-28(27)31(35)36/h1-5,7-8,10-13,15-19,29H,6,9,14,20H2,(H,35,36)/t29-/m0/s1
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Burnham Center for Chemical Genomics

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Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM61178
PNG
(2-[4-[[6-carbethoxy-5-(4-isopropoxyphenyl)-3-keto-...)
Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C28H28N2O7S/c1-5-35-27(34)24-17(4)29-28-30(25(24)19-8-12-21(13-9-19)37-16(2)3)26(33)22(38-28)14-18-6-10-20(11-7-18)36-15-23(31)32/h6-14,16,25H,5,15H2,1-4H3,(H,31,32)
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n/an/a 4.45E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM50221
PNG
((6Z)-5-azanylidene-6-[[1-(3-chloranyl-4-methyl-phe...)
Show SMILES Cc1ccc(cc1Cl)-n1cccc1\C=C1\C(=N)N2C(SN=C2S(C)(=O)=O)=NC1=O
Show InChI InChI=1S/C18H14ClN5O3S2/c1-10-5-6-12(9-14(10)19)23-7-3-4-11(23)8-13-15(20)24-17(21-16(13)25)28-22-18(24)29(2,26)27/h3-9,20H,1-2H3/b13-8-,20-15?
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n/an/a 4.60E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM54020
PNG
((2E)-2-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-nitr...)
Show SMILES [O-][N+](=O)c1c[c-](\C=C(/C#N)c2[nH+]c3ccccc3s2)ccc1=O
Show InChI InChI=1S/C16H8N3O3S/c17-9-11(16-18-12-3-1-2-4-15(12)23-16)7-10-5-6-14(20)13(8-10)19(21)22/h1-8H/q-1/p+1/b11-7+
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n/an/a 4.65E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM70227
PNG
((6Z)-5-azanylidene-6-[[1-(3,5-dimethylphenyl)pyrro...)
Show SMILES Cc1cc(C)cc(c1)-n1cccc1\C=C1/C(=O)N=C2SN=C(N2C1=N)S(C)(=O)=O
Show InChI InChI=1S/C19H17N5O3S2/c1-11-7-12(2)9-14(8-11)23-6-4-5-13(23)10-15-16(20)24-18(21-17(15)25)28-22-19(24)29(3,26)27/h4-10,20H,1-3H3/b15-10-,20-16?
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n/an/a 4.70E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM70237
PNG
(2-[3-hydroxy-2-keto-4-(5-methyl-2-furoyl)-5-(3-nit...)
Show SMILES CCOC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H19N3O8S/c1-4-33-22(30)20-12(3)24-23(35-20)25-17(13-6-5-7-14(10-13)26(31)32)16(19(28)21(25)29)18(27)15-9-8-11(2)34-15/h5-10,16-17H,4H2,1-3H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM46236
PNG
(4-[8-[(3-chloranyl-2-methyl-phenyl)sulfamoyl]-3a,4...)
Show SMILES Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H23ClN2O4S/c1-15-22(27)6-3-7-23(15)29-34(32,33)18-12-13-24-21(14-18)19-4-2-5-20(19)25(28-24)16-8-10-17(11-9-16)26(30)31/h2-4,6-14,19-20,25,28-29H,5H2,1H3,(H,30,31)
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Burnham Center for Chemical Genomics

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Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM50730
PNG
(MLS000762993 | SMR000438273 | Sodium; 2-benzothiaz...)
Show SMILES Cc1n(Cc2ccccc2)c(=O)cc2[n-]n(-c3nc4ccccc4s3)c(=O)c12
Show InChI InChI=1S/C21H16N4O2S/c1-13-19-16(11-18(26)24(13)12-14-7-3-2-4-8-14)23-25(20(19)27)21-22-15-9-5-6-10-17(15)28-21/h2-11H,12H2,1H3,(H,23,26)/p-1
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n/an/a 6.58E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM61229
PNG
(2-({[3-cyano-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-...)
Show SMILES CCC(C)(C)C1CCc2c(C1)sc(NC(=O)c1ccccc1C(O)=O)c2C#N
Show InChI InChI=1S/C22H24N2O3S/c1-4-22(2,3)13-9-10-14-17(12-23)20(28-18(14)11-13)24-19(25)15-7-5-6-8-16(15)21(26)27/h5-8,13H,4,9-11H2,1-3H3,(H,24,25)(H,26,27)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM53960
PNG
((5Z)-3-(2-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(C2=O)c2ccccc2Cl)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O6S/c1-26-13-7-9(6-12(15(13)21)20(24)25)8-14-16(22)19(17(23)27-14)11-5-3-2-4-10(11)18/h2-8,21H,1H3/b14-8-
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n/an/a 7.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM70229
PNG
(4-methylbenzenesulfonic acid [4-[(Z)-(5-imino-3-me...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C2/C(=O)N=C3SN=C(N3C2=N)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H16N4O6S3/c1-12-3-9-15(10-4-12)33(28,29)30-14-7-5-13(6-8-14)11-16-17(21)24-19(22-18(16)25)31-23-20(24)32(2,26)27/h3-11,21H,1-2H3/b16-11-,21-17?
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n/an/a 8.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM70238
PNG
(2-[(5Z)-5-(3-ethoxy-4-hydroxy-5-nitro-benzylidene)...)
Show SMILES CCOc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C20H16FN3O7S/c1-2-31-15-8-11(7-14(18(15)26)24(29)30)9-16-19(27)23(20(28)32-16)10-17(25)22-13-6-4-3-5-12(13)21/h3-9,26H,2,10H2,1H3,(H,22,25)/b16-9-
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n/an/a 8.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM70231
PNG
(MLS-0362442.0001 | [4-[(Z)-(3-ethylsulfonyl-5-imin...)
Show SMILES CCS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=N)N12
Show InChI InChI=1S/C20H16N4O6S3/c1-2-32(26,27)20-23-31-19-22-18(25)16(17(21)24(19)20)12-13-8-10-14(11-9-13)30-33(28,29)15-6-4-3-5-7-15/h3-12,21H,2H2,1H3/b16-12-,21-17?
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n/an/a 8.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM48777
PNG
(2-(2-hydroxy-3,5-dinitro-benzylidene)thiazolo[3,2-...)
Show SMILES Oc1c(\C=c2/sc3nc4ccccc4n3c2=O)cc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C16H8N4O6S/c21-14-8(5-9(19(23)24)7-12(14)20(25)26)6-13-15(22)18-11-4-2-1-3-10(11)17-16(18)27-13/h1-7,21H/b13-6-
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n/an/a 8.60E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM50252
PNG
((6Z)-5-azanylidene-6-[[1-(4-chlorophenyl)pyrrol-2-...)
Show SMILES CS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3cccn3-c3ccc(Cl)cc3)C(=N)N12
Show InChI InChI=1S/C17H12ClN5O3S2/c1-28(25,26)17-21-27-16-20-15(24)13(14(19)23(16)17)9-12-3-2-8-22(12)11-6-4-10(18)5-7-11/h2-9,19H,1H3/b13-9-,19-14?
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n/an/a 8.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM54037
PNG
((4Z)-2-(2,4-dimethylphenyl)-4-[[2-(5-keto-3-thioxo...)
Show SMILES Cc1ccc(c(C)c1)-n1c(O)c(C=Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)c2ccccc2c1=O
Show InChI InChI=1S/C27H21N5O3S/c1-15-11-12-22(16(2)13-15)32-25(34)18-8-4-3-7-17(18)20(26(32)35)14-28-21-10-6-5-9-19(21)23-24(33)29-27(36)31-30-23/h3-14,35H,1-2H3,(H2,29,31,33,36)
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n/an/a 9.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM70226
PNG
(2-chloranyl-5-[2-[(4-phenylphenyl)methylidene]hydr...)
Show SMILES OC(=O)c1cc(ccc1Cl)N=NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H15ClN2O2/c21-19-11-10-17(12-18(19)20(24)25)23-22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2,(H,24,25)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM70232
PNG
(8-N-[2-(4-chlorophenyl)ethyl]-5-oxo-3-N-propan-2-y...)
Show SMILES CC(C)NC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccc(cc21)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN4O3S2/c1-12(2)26-22(31)18-19-27-21(30)16-8-5-14(11-17(16)28(19)23(32)33-18)20(29)25-10-9-13-3-6-15(24)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,25,29)(H,26,31)(H,27,30)
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n/an/a 1.11E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM48836
PNG
((5Z)-1-(4-fluorophenyl)-5-(3-furanylmethylidene)-2...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccoc2)C1=O
Show InChI InChI=1S/C15H9FN2O3S/c16-10-1-3-11(4-2-10)18-14(20)12(13(19)17-15(18)22)7-9-5-6-21-8-9/h1-8H,(H,17,19,22)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM70234
PNG
(MLS-0364969.0001 | N'-[(E)-(1-cyclohexyl-4,6-diket...)
Show SMILES Oc1ccccc1C(=O)NNC=C1C(=O)NC(=S)N(C2CCCCC2)C1=O
Show InChI InChI=1S/C18H20N4O4S/c23-14-9-5-4-8-12(14)16(25)21-19-10-13-15(24)20-18(27)22(17(13)26)11-6-2-1-3-7-11/h4-5,8-11,19,23H,1-3,6-7H2,(H,21,25)(H,20,24,27)
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n/an/a 1.15E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM70230
PNG
(MLS-0370735.0001 | [4-[(Z)-(5-azanylidene-3-methyl...)
Show SMILES CS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=N)N12
Show InChI InChI=1S/C19H14N4O6S3/c1-31(25,26)19-22-30-18-21-17(24)15(16(20)23(18)19)11-12-7-9-13(10-8-12)29-32(27,28)14-5-3-2-4-6-14/h2-11,20H,1H3/b15-11-,20-16?
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n/an/a 1.27E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM48015
PNG
(2-chloranyl-5-[2-[[3-methoxy-4-(4-methoxyphenyl)ca...)
Show SMILES COc1ccc(cc1)C(=O)Oc1ccc(CN=Nc2ccc(Cl)c(c2)C(O)=O)cc1OC
Show InChI InChI=1S/C23H19ClN2O6/c1-30-17-7-4-15(5-8-17)23(29)32-20-10-3-14(11-21(20)31-2)13-25-26-16-6-9-19(24)18(12-16)22(27)28/h3-12H,13H2,1-2H3,(H,27,28)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM64817
PNG
(4-[[2-[1-(3-chloro-4-methylanilino)-1-oxobutan-2-y...)
Show SMILES CCC(Sc1nc2ccsc2c(=O)n1Cc1ccc(cc1)C(O)=O)C(=O)Nc1ccc(C)c(Cl)c1
Show InChI InChI=1S/C25H22ClN3O4S2/c1-3-20(22(30)27-17-9-4-14(2)18(26)12-17)35-25-28-19-10-11-34-21(19)23(31)29(25)13-15-5-7-16(8-6-15)24(32)33/h4-12,20H,3,13H2,1-2H3,(H,27,30)(H,32,33)
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n/an/a 1.32E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM51785
PNG
((5E)-1-(2,5-dimethoxyphenyl)-5-(2-furanylmethylide...)
Show SMILES COc1ccc(OC)c(c1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O
Show InChI InChI=1S/C17H14N2O5S/c1-22-10-5-6-14(23-2)13(9-10)19-16(21)12(15(20)18-17(19)25)8-11-4-3-7-24-11/h3-9H,1-2H3,(H,18,20,25)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM53765
PNG
(4-({2-[5-hydroxy-3-(methylsulfanyl)-1,2,4-triazin-...)
Show SMILES CSc1nnc(-c2ccccc2N=Cc2c(C)[nH]n(-c3ccc4ccccc4c3)c2=O)c(=O)[nH]1
Show InChI InChI=1S/C25H20N6O2S/c1-15-20(24(33)31(30-15)18-12-11-16-7-3-4-8-17(16)13-18)14-26-21-10-6-5-9-19(21)22-23(32)27-25(34-2)29-28-22/h3-14,30H,1-2H3,(H,27,29,32)
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n/an/a 1.65E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM61199
PNG
(4-({4-[(E)-(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H...)
Show SMILES CCC=c1[nH]n(-c2ccccc2)c(=O)c1=Cc1ccc(OCc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C27H24N2O4/c1-2-6-25-24(26(30)29(28-25)22-7-4-3-5-8-22)17-19-11-15-23(16-12-19)33-18-20-9-13-21(14-10-20)27(31)32/h3-17,28H,2,18H2,1H3,(H,31,32)/b24-17+,25-6-
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n/an/a 1.86E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM51781
PNG
((5E)-1-(4-fluorophenyl)-5-(2-furanylmethylidene)-2...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM61199
PNG
(4-({4-[(E)-(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H...)
Show SMILES CCC=c1[nH]n(-c2ccccc2)c(=O)c1=Cc1ccc(OCc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C27H24N2O4/c1-2-6-25-24(26(30)29(28-25)22-7-4-3-5-8-22)17-19-11-15-23(16-12-19)33-18-20-9-13-21(14-10-20)27(31)32/h3-17,28H,2,18H2,1H3,(H,31,32)/b24-17+,25-6-
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n/an/a 2.01E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM48023
PNG
(2-chloranyl-5-[2-[[4-(4-fluorophenyl)carbonyloxy-3...)
Show SMILES COc1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)ccc1OC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H16ClFN2O5/c1-30-20-10-13(12-25-26-16-7-8-18(23)17(11-16)21(27)28)2-9-19(20)31-22(29)14-3-5-15(24)6-4-14/h2-11H,12H2,1H3,(H,27,28)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM70235
PNG
(4-[[2-methoxy-4-[(E)-(2-naphthalenylsulfonylhydraz...)
Show SMILES COc1cc(\C=N\NS(=O)(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H22N2O6S/c1-33-25-14-19(8-13-24(25)34-17-18-6-9-21(10-7-18)26(29)30)16-27-28-35(31,32)23-12-11-20-4-2-3-5-22(20)15-23/h2-16,28H,17H2,1H3,(H,29,30)/b27-16+
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n/an/a 3.10E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM70228
PNG
(3-[5-[(Z)-(5-azanylidene-7-oxidanylidene-3-propan-...)
Show SMILES CC(C)S(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3ccc(o3)-c3cccc(c3)C(O)=O)C(=N)N12
Show InChI InChI=1S/C20H16N4O6S2/c1-10(2)32(28,29)20-23-31-19-22-17(25)14(16(21)24(19)20)9-13-6-7-15(30-13)11-4-3-5-12(8-11)18(26)27/h3-10,21H,1-2H3,(H,26,27)/b14-9-,21-16?
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n/an/a 6.80E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM48024
PNG
(2-chloranyl-5-[2-[[4-(2-fluorophenyl)carbonyloxy-3...)
Show SMILES COc1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)ccc1OC(=O)c1ccccc1F
Show InChI InChI=1S/C22H16ClFN2O5/c1-30-20-10-13(12-25-26-14-7-8-17(23)16(11-14)21(27)28)6-9-19(20)31-22(29)15-4-2-3-5-18(15)24/h2-11H,12H2,1H3,(H,27,28)
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n/an/a 6.80E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM67356
PNG
(2-[(2E)-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-yl...)
Show SMILES OC(=O)c1ccccc1N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H10N4O5/c20-14-13(10-7-8(19(23)24)5-6-11(10)16-14)18-17-12-4-2-1-3-9(12)15(21)22/h1-7H,(H3,16,17,18,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%